N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[[2-(p-tolyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]thio]ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[[2-(p-tolyl)-1H-indol-3-yl]thio]ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C28H29N3O3S2/c1-20-8-10-21(11-9-20)26-27(24-6-2-3-7-25(24)30-26)35-19-16-29-28(32)22-12-14-23(15-13-22)36(33,34)31-17-4-5-18-31/h2-3,6-15,30H,4-5,16-19H2,1H3,(H,29,32)